Propanenitrile, 3-(methylamino)-
Basic information
- CAS
693-05-0- Standard SMILES
CNCCC#N- InChIKey
UNIJBMUBHBAUET-UHFFFAOYSA-N- Molecular formula
- C4H8N2
- Average molar mass
- 84.12 g/mol
- Monoisotopic mass
- 84.06874826
Names & identifiers
- Preferred name
- Propanenitrile, 3-(methylamino)-
- IUPAC
- 3-(methylamino)propanenitrile
- English name
- 3-Methylaminopropionitrile
- Molecular formula
- C4H8N2
- Molecular weight
- 84.12
Names & synonyms
3-(Methylamino)propanenitrile693-05-03-MethylaminopropionitrilePropanenitrile, 3-(methylamino)-(2-Cyanoethyl)methyl aminePropionitrile, 3-(methylamino)-N-(2-Cyanoethyl)methylamine(2-Cyanoethyl)methylamine3-(N-Methylamino)propionitrileNSC 8399N-(beta-Cyanoethyl)methylaminebeta-(Methylamino)propionitrile
Show more names
N-METHYL-BETA-ALANINENITRILE3-(Methyl3-A aMinopropionitrileMethylaMino)propionitrilN-METHYL-B-ALANINENITRILEMethyl(2-cyanoethyl)aminen-methyl-β-alaninenitrile
N-Methyl-beta-aminopropionitrilebeta-MethylaminopropionitrilEINECS 211-740-0beta-Methylaminopropionitril [German]BRN 1699160AI3-260573-04-00-01264 (Beilstein Handbook Reference)DTXSID8061004
Database identifiers
- CAS
693-05-0- PubChem CID
- 69656
- DTXSID
DTXSID8061004- EC Number
- 211-740-0
- Nikkaji
- J27.768A
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 59.2
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Physicochemical properties
- Melting point
- 49 · 49-50 °C
- Boiling point
- 182 · 182-186 °C
- Density
- 0.899 g/mL · 0.899 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.432(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Chloroform, Methanol
- pka
- 8.27 · 8.27±0.10(Predicted)
- form
- Liquid
- color
- Clear yellow
- BRN
- 1699160 · 1699160
- InChI
- 1S/C4H8N2/c1-6-4-2-3-5/h6H,2,4H2,1H3
- InChIKey
- UNIJBMUBHBAUET-UHFFFAOYSA-N
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H312 (97.7%): Harmful in contact with skin [Warning Acute toxicity, dermal]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (97.7%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- TZ4910000
- hs_code
- 29269095
- risk_code
- 20/21-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36/37-37/39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H312+H332-H315-H319-H335
- Hazard Classifications
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3-(methylamino)-: ACTIVE
Applications
Uses(3-MethylaMinopropionitrile) Aminoproponitriles can be used as inhibitors of oxidase enzymes and as a reagent for aminomethylphosphine ligands or the synthesis of aminobenzothiazoles.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
44 records
Compound notes
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